@MOLECULE [(2R,3S,4R,5R)-5-(2-aminopurin-9-ium-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate 37 39 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 P 3.9883 1.0152 -0.1649 P.3 1 UNL1 0.3629 2 O 0.6226 -1.1388 1.2917 O.3 1 UNL1 -0.3862 3 O -1.7453 -3.2059 0.1185 O.3 1 UNL1 -0.5077 4 O 0.7664 -3.8813 -0.0254 O.3 1 UNL1 -0.5357 5 O 2.5048 0.5310 0.1396 O.3 1 UNL1 -0.2200 6 O 3.9224 1.9109 -1.4897 O.3 1 UNL1 -0.4327 7 O 4.7036 -0.2828 -0.7555 O.3 1 UNL1 -0.3370 8 O 4.5371 1.6160 1.0329 O.2 1 UNL1 -0.2278 9 N -1.1844 0.1646 0.6993 N.ar 1 UNL1 -0.4219 10 N -1.2262 2.4424 0.8194 N.ar 1 UNL1 -0.3424 11 N -3.4628 -0.2004 -0.1859 N.ar 1 UNL1 -0.5440 12 N -4.6820 1.9182 -0.4915 N.ar 1 UNL1 -0.5191 13 N -5.6386 -0.1623 -1.0119 N.pl3 1 UNL1 -0.5700 14 C -0.9090 -2.1501 -0.2506 C.3 1 UNL1 0.0391 15 C 0.5514 -2.5968 -0.5556 C.3 1 UNL1 0.0447 16 C -0.7499 -1.2047 0.9819 C.3 1 UNL1 0.2505 17 C 1.4146 -1.5533 0.1775 C.3 1 UNL1 0.0200 18 C 1.7631 -0.3551 -0.7163 C.3 1 UNL1 -0.0724 19 C -2.4375 0.5551 0.2525 C.ar 1 UNL1 0.2981 20 C -0.4907 1.3644 1.0490 C.ar 1 UNL1 0.1709 21 C -2.4576 1.9986 0.3275 C.ar 1 UNL1 -0.1766 22 C -3.6424 2.6386 -0.0645 C.ar 1 UNL1 0.1926 23 C -4.5613 0.5363 -0.5456 C.ar 1 UNL1 0.5290 24 H -1.4144 -1.6593 -1.1100 H 1 UNL1 0.1736 25 H 0.7670 -2.7220 -1.6327 H 1 UNL1 0.1638 26 H -1.2552 -1.5916 1.9027 H 1 UNL1 0.1776 27 H 2.3182 -1.9867 0.6645 H 1 UNL1 0.1832 28 H 2.2469 -0.6902 -1.6535 H 1 UNL1 0.1467 29 H 0.8614 0.2407 -0.9818 H 1 UNL1 0.1495 30 H -1.2521 -4.0624 0.1112 H 1 UNL1 0.3312 31 H 0.8107 -3.8478 0.9598 H 1 UNL1 0.3297 32 H 0.5253 1.3354 1.4355 H 1 UNL1 0.2263 33 H -3.7642 3.7295 -0.0331 H 1 UNL1 0.1932 34 H 5.3874 0.0161 -1.4609 H 1 UNL1 0.3218 35 H 3.5605 2.8358 -1.2601 H 1 UNL1 0.3349 36 H -5.6055 -1.1630 -1.0304 H 1 UNL1 0.3279 37 H -6.4865 0.3146 -1.2387 H 1 UNL1 0.3263 @BOND 1 28 18 1 2 25 15 1 3 6 35 1 4 6 1 1 5 34 7 1 6 37 13 1 7 24 14 1 8 36 13 1 9 13 23 1 10 29 18 1 11 7 1 1 12 18 5 1 13 18 17 1 14 15 14 1 15 15 4 1 16 15 17 1 17 23 12 ar 18 23 11 ar 19 12 22 ar 20 14 3 1 21 14 16 1 22 11 19 ar 23 1 5 1 24 1 8 2 25 22 33 1 26 22 21 ar 27 4 31 1 28 30 3 1 29 17 27 1 30 17 2 1 31 19 21 ar 32 19 9 ar 33 21 10 ar 34 9 16 1 35 9 20 ar 36 10 20 ar 37 16 2 1 38 16 26 1 39 20 32 1